(2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene

C10H14BrI — CID 101183918

IUPAC(2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene
SMILESBrC12CCC(CC/C=C\1I)CC2
InChIInChI=1S/C10H14BrI/c11-10-6-4-8(5-7-10)2-1-3-9(10)12/h3,8H,1-2,4-7H2/b9-3+
InChIKeyXCOCZEKECHTLMS-YCRREMRBSA-N
MW341.03 g/mol
LogP4.42
Rot. Bonds

About (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene

(2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene (PubChem CID 101183918) has the molecular formula C10H14BrI and a molecular weight of 341.03 g/mol. Its IUPAC name is (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene.

Molecular Properties

Compound Name(2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene
PubChem CID101183918
Molecular FormulaC10H14BrI
Molecular Weight341.03 g/mol
Exact Mass339.93
IUPAC Name(2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene
SMILESBrC12CCC(CC/C=C\1I)CC2
InChIInChI=1S/C10H14BrI/c11-10-6-4-8(5-7-10)2-1-3-9(10)12/h3,8H,1-2,4-7H2/b9-3+
InChIKeyXCOCZEKECHTLMS-YCRREMRBSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.03
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(1-bicyclo[2.2.2]octanyl)-2,2-dimethylpropan-1-ol
CID 14866453
1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
CID 13184607
7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene
CID 86029684
2-bromo-3-iodocyclohexa-1,3-diene
CID 146780780
4-bromo-4-phenylcyclohexan-1-amine
CID 178078365
bicyclo[2.2.2]octan-1-amine
CID 550214
bicyclo[2.2.2]octan-1-olate
CID 101218368
1-(4-methylphenyl)bicyclo[2.2.2]octane
CID 58390113
(1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol
CID 54576207
(4aS,6S,9aR)-1,6,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-one
CID 102242688
(1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol
CID 139089608
2-(1-bicyclo[2.2.2]octanyl)thiophene
CID 140617889

Frequently Asked Questions

What is the IUPAC name of (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene?
The IUPAC name of (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene (CID 101183918) is (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene.
What is the SMILES notation for (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene?
The canonical SMILES for (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene is BrC12CCC(CC/C=C\1I)CC2.
What is the InChIKey of (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene?
The InChIKey is XCOCZEKECHTLMS-YCRREMRBSA-N. The full InChI is InChI=1S/C10H14BrI/c11-10-6-4-8(5-7-10)2-1-3-9(10)12/h3,8H,1-2,4-7H2/b9-3+.
What are the key properties of (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene?
(2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene has a molecular weight of 341.03 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-bromo-2-iodobicyclo[4.2.2]dec-2-ene is sourced from PubChem (CID 101183918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).